1-[1-benzothiophen-3-yl-(3-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-3-yl-(3-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(3-methyl-2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(3-methyl-2-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(3-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(3-methyl-2-thienyl)methyl]isonipecotic acid Formula: C20H21NO2S2 MolecularWeight: 371.51624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(C2=CSC3=CC=CC=C32)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=C(SC=C1)C(C2=CSC3=CC=CC=C32)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C20H21NO2S2/c1-13-8-11-24-19(13)18(21-9-6-14(7-10-21)20(22)23)16-12-25-17-5-3-2-4-15(16)17/h2-5,8,11-12,14,18H,6-7,9-10H2,1H3,(H,22,23)